N-(2,5-difluoro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide

C13H8F4N2O — CID 103585463

IUPACN-(2,5-difluoro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide
SMILESCc1cc(F)c(NC(=O)c2ccnc(F)c2F)cc1F
InChIInChI=1S/C13H8F4N2O/c1-6-4-9(15)10(5-8(6)14)19-13(20)7-2-3-18-12(17)11(7)16/h2-5H,1H3,(H,19,20)
InChIKeyVTYLCMHLDJHYGJ-UHFFFAOYSA-N
MW284.21 g/mol
LogP3.20
Rot. Bonds2

About N-(2,5-difluoro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide

N-(2,5-difluoro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide (PubChem CID 103585463) has the molecular formula C13H8F4N2O and a molecular weight of 284.21 g/mol. Its IUPAC name is N-(2,5-difluoro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluoro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide
PubChem CID103585463
Molecular FormulaC13H8F4N2O
Molecular Weight284.21 g/mol
Exact Mass284.06
IUPAC NameN-(2,5-difluoro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide
SMILESCc1cc(F)c(NC(=O)c2ccnc(F)c2F)cc1F
InChIInChI=1S/C13H8F4N2O/c1-6-4-9(15)10(5-8(6)14)19-13(20)7-2-3-18-12(17)11(7)16/h2-5H,1H3,(H,19,20)
InChIKeyVTYLCMHLDJHYGJ-UHFFFAOYSA-N
XLogP3.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.21
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-difluoro-4-methylphenyl)-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 103587401
2,3-difluoro-N-(4-hydroxy-2-methylphenyl)pyridine-4-carboxamide
CID 105381289
4-[(2,3-difluoropyridine-4-carbonyl)amino]-3-methylbenzoic acid
CID 105380758
2,3-difluoro-N-(2,3,5-trifluorophenyl)pyridine-4-carboxamide
CID 105381162
N-(4-carbamoyl-2-methylphenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380697
N-(2-bromo-5-chloro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide
CID 105381565
2-chloro-N-(2,5-difluoro-4-methylphenyl)furan-3-carboxamide
CID 106687388
2,3-difluoro-N-(2-methyl-5-nitrophenyl)pyridine-4-carboxamide
CID 105380524
N-(4-chloro-2-iodophenyl)-2,3-difluoropyridine-4-carboxamide
CID 107470498
2,3-difluoro-N-(3-methoxy-2,4-dimethylphenyl)pyridine-4-carboxamide
CID 105380636
2,3-difluoro-N-(4-methylphenyl)pyridine-4-carboxamide
CID 105380183
2-bromo-N-(2,5-difluoro-4-methylphenyl)furan-3-carboxamide
CID 106854464

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluoro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide?
The IUPAC name of N-(2,5-difluoro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide (CID 103585463) is N-(2,5-difluoro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-(2,5-difluoro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide?
The canonical SMILES for N-(2,5-difluoro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide is Cc1cc(F)c(NC(=O)c2ccnc(F)c2F)cc1F.
What is the InChIKey of N-(2,5-difluoro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide?
The InChIKey is VTYLCMHLDJHYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4N2O/c1-6-4-9(15)10(5-8(6)14)19-13(20)7-2-3-18-12(17)11(7)16/h2-5H,1H3,(H,19,20).
What are the key properties of N-(2,5-difluoro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide?
N-(2,5-difluoro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide has a molecular weight of 284.21 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluoro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide is sourced from PubChem (CID 103585463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).